[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

C14H19N3O3S — CID 164640630

IUPAC[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C14H19N3O3S/c18-13(12-7-21-10-15-12)17-8-14(9-17)5-11(6-20-14)16-1-3-19-4-2-16/h7,10-11H,1-6,8-9H2/t11-/m0/s1
InChIKeyKYZREMZIBKLHSH-NSHDSACASA-N
MW309.39 g/mol
LogP0.46
Rot. Bonds2

About [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 164640630) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID164640630
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C14H19N3O3S/c18-13(12-7-21-10-15-12)17-8-14(9-17)5-11(6-20-14)16-1-3-19-4-2-16/h7,10-11H,1-6,8-9H2/t11-/m0/s1
InChIKeyKYZREMZIBKLHSH-NSHDSACASA-N
XLogP0.46
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 164640630) is [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC2(C[C@H](N3CCOCC3)CO2)C1.
What is the InChIKey of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is KYZREMZIBKLHSH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-13(12-7-21-10-15-12)17-8-14(9-17)5-11(6-20-14)16-1-3-19-4-2-16/h7,10-11H,1-6,8-9H2/t11-/m0/s1.
What are the key properties of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 164640630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).